N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine

C12H17N5S — CID 107784869

IUPACN-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Sc1ncc[nH]1
InChIInChI=1S/C12H17N5S/c1-3-5-9-10(13-4-2)16-8-17-11(9)18-12-14-6-7-15-12/h6-8H,3-5H2,1-2H3,(H,14,15)(H,13,16,17)
InChIKeyNJVPYAUXRNZDSV-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.74
Rot. Bonds6

About N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine

N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine (PubChem CID 107784869) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine
PubChem CID107784869
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC NameN-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1Sc1ncc[nH]1
InChIInChI=1S/C12H17N5S/c1-3-5-9-10(13-4-2)16-8-17-11(9)18-12-14-6-7-15-12/h6-8H,3-5H2,1-2H3,(H,14,15)(H,13,16,17)
InChIKeyNJVPYAUXRNZDSV-UHFFFAOYSA-N
XLogP2.74
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
CID 80890169
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine
CID 80888105
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propylpyrimidin-4-amine
CID 115384439
6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
CID 80864229
[4-chloro-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-5-yl]methanol
CID 107783386
5-chloro-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
CID 107784969
5-bromo-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
CID 107784857
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine
CID 80883518
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107784942
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine
CID 107784957
N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80886227

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine (CID 107784869) is N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1Sc1ncc[nH]1.
What is the InChIKey of N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine?
The InChIKey is NJVPYAUXRNZDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-3-5-9-10(13-4-2)16-8-17-11(9)18-12-14-6-7-15-12/h6-8H,3-5H2,1-2H3,(H,14,15)(H,13,16,17).
What are the key properties of N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine?
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 107784869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).